1-phenyl-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea

C19H20N4O — CID 10903293

IUPAC1-phenyl-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea
SMILESCC(C)c1cc(NC(=O)Nc2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C19H20N4O/c1-14(2)17-13-18(23(22-17)16-11-7-4-8-12-16)21-19(24)20-15-9-5-3-6-10-15/h3-14H,1-2H3,(H2,20,21,24)
InChIKeyFDICHOOSBBHUQP-UHFFFAOYSA-N
MW320.40 g/mol
LogP4.64
Rot. Bonds4

About 1-phenyl-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea

1-phenyl-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea (PubChem CID 10903293) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 1-phenyl-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea.

Molecular Properties

Compound Name1-phenyl-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea
PubChem CID10903293
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name1-phenyl-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea
SMILESCC(C)c1cc(NC(=O)Nc2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C19H20N4O/c1-14(2)17-13-18(23(22-17)16-11-7-4-8-12-16)21-19(24)20-15-9-5-3-6-10-15/h3-14H,1-2H3,(H2,20,21,24)
InChIKeyFDICHOOSBBHUQP-UHFFFAOYSA-N
XLogP4.64
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea?
The IUPAC name of 1-phenyl-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea (CID 10903293) is 1-phenyl-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea.
What is the SMILES notation for 1-phenyl-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea?
The canonical SMILES for 1-phenyl-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea is CC(C)c1cc(NC(=O)Nc2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of 1-phenyl-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea?
The InChIKey is FDICHOOSBBHUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-14(2)17-13-18(23(22-17)16-11-7-4-8-12-16)21-19(24)20-15-9-5-3-6-10-15/h3-14H,1-2H3,(H2,20,21,24).
What are the key properties of 1-phenyl-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea?
1-phenyl-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea has a molecular weight of 320.40 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea is sourced from PubChem (CID 10903293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).